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Crystal structure of racemic (R/S,E)-2-(4-hy­droxy­phen­yl)-4-(2-phenyl­hydrazin-1-yl­idene)chromane-5,7-diol ethanol monosolvate

The crystal structure of racemic (R/S,E)-2-(4-hy­droxy­phen­yl)-4-(2-phenyl­hydrazin-1-yl­idene)chromane-5,7-diol ethanol monosolvate, C(21)H(18)N(2)O(4)·C(2)H(6)O, in a centrosymmetric lattice is reported. The two racemates occupy the same position in the asymmetric unit – a disordered mixed enanti...

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Autores principales: Yennawar, Hemant P., Sigmon, Anna
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8983983/
https://www.ncbi.nlm.nih.gov/pubmed/35492281
http://dx.doi.org/10.1107/S2056989022002079
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author Yennawar, Hemant P.
Sigmon, Anna
author_facet Yennawar, Hemant P.
Sigmon, Anna
author_sort Yennawar, Hemant P.
collection PubMed
description The crystal structure of racemic (R/S,E)-2-(4-hy­droxy­phen­yl)-4-(2-phenyl­hydrazin-1-yl­idene)chromane-5,7-diol ethanol monosolvate, C(21)H(18)N(2)O(4)·C(2)H(6)O, in a centrosymmetric lattice is reported. The two racemates occupy the same position in the asymmetric unit – a disordered mixed enanti­omeric structure. Hydrogen bonds of the type O—H⋯C(π) in addition to typical C—H⋯O, O—H⋯O and O—H⋯N are identified. A positional disorder is seen in the solvent mol­ecule (ethanol) as well. The phenyl­hydrazone group is nearly coplanar with the chromane ring system [dihedral angle = 15.5 (1)°], while the the 4-hy­droxy­phenyl ring is perpendicular [dihedral angle = 87.2 (1)°] to the chromane. The pyran ring has an envelope pucker [Q = 0.363 (3) Å, θ = 57.6 (3)°; and for the enanti­omer: Q = 0.364 (3) Å, θ = 127.4 (4)°].
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spelling pubmed-89839832022-04-28 Crystal structure of racemic (R/S,E)-2-(4-hy­droxy­phen­yl)-4-(2-phenyl­hydrazin-1-yl­idene)chromane-5,7-diol ethanol monosolvate Yennawar, Hemant P. Sigmon, Anna Acta Crystallogr E Crystallogr Commun Research Communications The crystal structure of racemic (R/S,E)-2-(4-hy­droxy­phen­yl)-4-(2-phenyl­hydrazin-1-yl­idene)chromane-5,7-diol ethanol monosolvate, C(21)H(18)N(2)O(4)·C(2)H(6)O, in a centrosymmetric lattice is reported. The two racemates occupy the same position in the asymmetric unit – a disordered mixed enanti­omeric structure. Hydrogen bonds of the type O—H⋯C(π) in addition to typical C—H⋯O, O—H⋯O and O—H⋯N are identified. A positional disorder is seen in the solvent mol­ecule (ethanol) as well. The phenyl­hydrazone group is nearly coplanar with the chromane ring system [dihedral angle = 15.5 (1)°], while the the 4-hy­droxy­phenyl ring is perpendicular [dihedral angle = 87.2 (1)°] to the chromane. The pyran ring has an envelope pucker [Q = 0.363 (3) Å, θ = 57.6 (3)°; and for the enanti­omer: Q = 0.364 (3) Å, θ = 127.4 (4)°]. International Union of Crystallography 2022-03-01 /pmc/articles/PMC8983983/ /pubmed/35492281 http://dx.doi.org/10.1107/S2056989022002079 Text en © Yennawar and Sigmon 2022 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Research Communications
Yennawar, Hemant P.
Sigmon, Anna
Crystal structure of racemic (R/S,E)-2-(4-hy­droxy­phen­yl)-4-(2-phenyl­hydrazin-1-yl­idene)chromane-5,7-diol ethanol monosolvate
title Crystal structure of racemic (R/S,E)-2-(4-hy­droxy­phen­yl)-4-(2-phenyl­hydrazin-1-yl­idene)chromane-5,7-diol ethanol monosolvate
title_full Crystal structure of racemic (R/S,E)-2-(4-hy­droxy­phen­yl)-4-(2-phenyl­hydrazin-1-yl­idene)chromane-5,7-diol ethanol monosolvate
title_fullStr Crystal structure of racemic (R/S,E)-2-(4-hy­droxy­phen­yl)-4-(2-phenyl­hydrazin-1-yl­idene)chromane-5,7-diol ethanol monosolvate
title_full_unstemmed Crystal structure of racemic (R/S,E)-2-(4-hy­droxy­phen­yl)-4-(2-phenyl­hydrazin-1-yl­idene)chromane-5,7-diol ethanol monosolvate
title_short Crystal structure of racemic (R/S,E)-2-(4-hy­droxy­phen­yl)-4-(2-phenyl­hydrazin-1-yl­idene)chromane-5,7-diol ethanol monosolvate
title_sort crystal structure of racemic (r/s,e)-2-(4-hy­droxy­phen­yl)-4-(2-phenyl­hydrazin-1-yl­idene)chromane-5,7-diol ethanol monosolvate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8983983/
https://www.ncbi.nlm.nih.gov/pubmed/35492281
http://dx.doi.org/10.1107/S2056989022002079
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